2-bromanyl-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide

Systemtic Name: 2-bromanyl-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Openeye Name: 2-bromo-N-(4-methoxy-7-tetrahydropyran-2-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide CAS Name: 2-bromo-N-[4-methoxy-7-(2-oxanyl)-1,3-benzothiazol-2-yl]-4-pyridinecarboxamide IUPAC Name: 2-bromo-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Traditional Name: 2-bromo-N-(4-methoxy-7-tetrahydropyran-2-yl-1,3-benzothiazol-2-yl)isonicotinamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3CCCCO3)SC(=N2)NC(=O)C4=CC(=NC=C4)Br

Isomeric SMILES

COC1=C2C(=C(C=C1)C3CCCCO3)SC(=N2)NC(=O)C4=CC(=NC=C4)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-25-14-6-5-12(13-4-2-3-9-26-13)17-16(14)22-19(27-17)23-18(24)11-7-8-21-15(20)10-11/h5-8,10,13H,2-4,9H2,1H3,(H,22,23,24)